CNRS, Université de Bordeaux, ICMCB, 87 avenue du Docteur Albert Schweitzer, 33608 Pessac Cedex, France.
Inorg Chem. 2010 Jun 7;49(11):4836-42. doi: 10.1021/ic902079u.
The hydride NdCoSiH obtained by exposure at 523 K of the ternary antiferromagnet NdCoSi under a pressure of 4 MPa of hydrogen crystallizes in the tetragonal ZrCuSiAs-type structure where H atoms occupy the tetrahedral [Nd(4)] site. The hydrogenation induces an increase in the unit cell volume close to 6%. The investigation of NdCoSiH by magnetization measurements reveals its ferromagnetic behavior below T(C) = 20.5(5) K. Neutron powder diffraction shows that the T(C) temperature is associated with a ferromagnetic arrangement of the Nd moments (2.3(2) mu(B) at 1.5 K) parallel to the c axis as observed for NdFeSi. The magnetic properties, magnetic structure, and the value of the Nd ordered magnetic moment evidenced for NdCoSiH are discussed using both band structure calculations and a comparison with the behavior of NdCoSi and NdFeSi.
在 4 MPa 氢气压力下，将三元反铁磁体 NdCoSi 在 523 K 下暴露，得到的氢化物 NdCoSiH 结晶为四方 ZrCuSiAs 型结构，其中 H 原子占据四面体 [Nd(4)]位。氢化导致单元体积增加接近 6%。通过磁化测量研究 NdCoSiH 发现，其在 T(C) = 20.5(5) K 以下表现出铁磁行为。中子粉末衍射表明，T(C)温度与 Nd 磁矩的铁磁排列有关（在 1.5 K 时为 2.3(2) mu(B)），与 NdFeSi 观察到的方向平行于 c 轴。使用能带结构计算和与 NdCoSi 和 NdFeSi 行为的比较，讨论了 NdCoSiH 的磁性、磁结构和 Nd 有序磁矩的值。
